3GDF

crystal structure of the nadp-dependent mannitol dehydrogenase from cladosporium herbarum.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 190
  • Norm. En. per Res.: -3.8546
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-144.9188	85.185	-665.12	-724.8538	201	45	15	26328	4	49	54
A-C	-59.7171	55.6253	-501.627	-505.7189	158	17	8	19214	2	30	30
A-D	-21.749	0.0	-79.9484	-101.6974	36	5	0	2848	0	4	4
B-C	-19.0479	0.0	-80.9959	-100.0438	37	4	0	2811	0	4	4
B-D	-66.9707	55.8039	-478.422	-489.5888	153	28	8	19074	2	30	31
C-D	-127.7605	64.8089	-669.413	-732.3646	190	38	12	25887	0	48	54

Interface residues

• A-B: ALA186A, ALA186B, ALA190A, ALA190B, ALA197A, ALA197B, ALA235A, ALA235B, ALA241A, ALA241B, ALA249A, ALA249B, ALA256A, ALA256B, ALA38A, ALA38B, ALA43A, ALA43B, ALA6A, ALA6B, ARG187A, ARG187B, ARG194A, ARG194B, ARG198A, ARG198B, ARG231A, ARG231B, ARG267A, ARG267B, ARG40A, ARG40B, ASN191A, ASN191B, ASN200A, ASN200B, ASP14A, ASP14B, ASP195A, ASP195B, ASP208A, ASP208B, ASP232A, ASP232B, ASP248A, ASP248B, ASP257A, ASP257B, ASP261A, ASP261B, CYS42A, CYS42B, GLN15A, GLN15B, GLN4A, GLN4B, GLN5A, GLN5B, GLU10A, GLU10B, GLU192A, GLU192B, GLU237A, GLU237B, GLU37A, GLU37B, GLU44A, GLU44B, GLY205A, GLY205B, GLY230A, GLY230B, GLY233A, GLY233B, GLY240A, GLY240B, GLY255A, GLY255B, GLY262A, GLY262B, GLY263A, GLY263B, GLY3A, GLY3B, GLY41A, GLY41B, GLY46A, GLY46B, HIS164A, HIS164B, HIS184A, HIS184B, HIS224A, HIS224B, HIS9A, HIS9B, ILE183A, ILE202A, ILE202B, ILE207A, ILE207B, ILE227A, ILE227B, ILE260A, ILE260B, ILE36A, ILE36B, LEU12A, LEU12B, LEU13A, LEU13B, LEU16A, LEU16B, LEU189A, LEU189B, LEU18A, LEU18B, LEU234A, LEU234B, LEU238A, LEU238B, LEU258A, LEU258B, LEU259A, LEU259B, LYS19A, LYS236A, LYS236B, LYS239A, LYS239B, LYS32A, LYS32B, LYS8A, LYS8B, MET161A, MET161B, MET1A, MET226A, MET226B, MET229A, MET229B, MET45A, MET45B, PHE196A, PHE196B, PHE245A, PHE245B, PRO204A, PRO204B, PRO228A, PRO228B, PRO2A, PRO2B, PRO31A, SER11A, SER11B, SER17A, SER17B, SER188A, SER188B, SER201A, SER201B, SER203A, SER203B, SER225A, SER225B, SER247A, SER247B, SER250A, SER250B, THR251A, THR251B, THR253A, THR253B, THR254A, THR254B, THR265A, THR265B, THR266A, THR266B, THR7A, THR7B, TRP193A, TRP193B, TRP223A, TYR206A, TYR206B, TYR242A, TYR242B, TYR244A, TYR244B, TYR252A, TYR252B, TYR264A, TYR264B, TYR71A, TYR71B, VAL199A, VAL199B, VAL243A, VAL243B
• A-C: ALA124A, ALA124C, ALA140A, ALA140C, ALA142A, ALA142C, ALA166A, ALA166C, ALA178A, ALA178C, ALA180A, ALA180C, ALA186A, ALA186C, ALA190A, ALA190C, ALA197A, ALA197C, ARG187A, ARG187C, ARG194A, ARG194C, ASN126A, ASN126C, ASN134A, ASN134C, ASN167A, ASN167C, ASN176A, ASN176C, ASN191A, ASN191C, ASP119A, ASP119C, ASP83A, ASP83C, CYS139A, CYS139C, CYS182A, CYS182C, GLN130A, GLN130C, GLN170A, GLN170C, GLN172A, GLN172C, GLU123A, GLU123C, GLU149A, GLU149C, GLU171A, GLU171C, GLU192A, GLU192C, GLU86A, GLU86C, GLU89A, GLU89C, GLY116A, GLY116C, GLY120A, GLY120C, GLY135A, GLY135C, GLY144A, GLY144C, GLY163A, GLY163C, GLY181A, GLY181C, HIS127C, HIS138A, HIS138C, HIS145A, HIS145C, HIS146A, HIS146C, HIS164A, HIS164C, HIS184A, HIS184C, ILE117A, ILE117C, ILE157A, ILE165A, ILE165C, ILE183A, ILE183C, LEU118A, LEU118C, LEU133A, LEU133C, LEU155A, LEU155C, LEU189A, LEU189C, LYS141A, LYS141C, LYS148A, LYS148C, LYS179A, LYS179C, MET161A, MET161C, MET185A, MET185C, MET226A, MET226C, PHE137A, PHE137C, PHE147A, PHE147C, PHE168A, PHE168C, PHE196A, PHE196C, PRO169A, PRO169C, SER115A, SER115C, SER121A, SER121C, SER160A, SER160C, SER162A, SER162C, SER174A, SER174C, SER188A, SER188C, SER84A, SER84C, THR136A, THR136C, THR173A, THR173C, THR265A, THR265C, TRP125A, TRP125C, TRP193A, TRP193C, TYR175A, TYR175C, TYR264A, TYR264C, TYR85A, TYR85C, VAL122A, VAL122C, VAL129A, VAL129C, VAL143A, VAL143C, VAL177A, VAL177C, VAL199A, VAL199C
• A-D: ALA166A, ALA166D, ARG267A, ARG267D, ASN167A, ASN167D, ASN176A, ASN176D, GLU171A, GLU171D, GLY263A, GLY263D, HIS164A, HIS164D, ILE165A, ILE165D, LEU222A, LEU222D, MET161A, MET161D, MET226A, MET226D, PHE168A, PHE168D, PRO169A, PRO169D, PRO228A, PRO228D, SER225A, SER225D, THR265A, THR265D, THR266A, THR266D, TYR264A, TYR264D
• B-C: ALA166B, ALA166C, ARG267B, ARG267C, ASN167B, ASN167C, ASN176B, ASN176C, GLN170C, GLU171B, GLU171C, GLY263B, GLY263C, HIS164B, HIS164C, ILE165B, ILE165C, LEU222B, LEU222C, MET161B, MET161C, MET226B, MET226C, PHE168B, PHE168C, PRO169B, PRO169C, PRO228B, PRO228C, SER225B, SER225C, THR265B, THR265C, THR266B, THR266C, TYR264B, TYR264C
• B-D: ALA124B, ALA124D, ALA140B, ALA140D, ALA142B, ALA142D, ALA166B, ALA166D, ALA178B, ALA178D, ALA180B, ALA180D, ALA186B, ALA186D, ALA190B, ALA190D, ALA197B, ALA197D, ARG187B, ARG187D, ARG194B, ARG194D, ASN126B, ASN126D, ASN134B, ASN134D, ASN167B, ASN167D, ASN176B, ASN176D, ASN191B, ASN191D, ASP119B, ASP119D, ASP83B, CYS139B, CYS139D, CYS182B, CYS182D, GLN130B, GLN130D, GLN170B, GLN170D, GLN172B, GLN172D, GLU123B, GLU123D, GLU149B, GLU149D, GLU171B, GLU171D, GLU192B, GLU192D, GLU86B, GLU86D, GLU89B, GLU89D, GLY116B, GLY116D, GLY120B, GLY120D, GLY135B, GLY135D, GLY144B, GLY144D, GLY163B, GLY163D, GLY181B, GLY181D, HIS127D, HIS138B, HIS138D, HIS145B, HIS145D, HIS146B, HIS146D, HIS164B, HIS164D, HIS184B, HIS184D, ILE117B, ILE117D, ILE165B, ILE165D, ILE183B, ILE183D, LEU118B, LEU118D, LEU133B, LEU133D, LEU155B, LEU155D, LEU189B, LEU189D, LYS141B, LYS141D, LYS148B, LYS148D, LYS179B, LYS179D, MET161B, MET161D, MET185B, MET185D, MET226B, MET226D, PHE137B, PHE137D, PHE147B, PHE147D, PHE168B, PHE168D, PHE196B, PHE196D, PRO169B, PRO169D, SER115B, SER115D, SER121B, SER121D, SER160B, SER160D, SER162B, SER162D, SER174B, SER174D, SER188B, SER188D, SER84B, SER84D, THR136B, THR136D, THR173B, THR173D, THR265B, TRP125B, TRP125D, TRP193B, TRP193D, TYR175B, TYR175D, TYR85B, TYR85D, VAL122B, VAL122D, VAL129B, VAL129D, VAL143B, VAL143D, VAL177B, VAL177D, VAL199B, VAL199D
• C-D: ALA186C, ALA186D, ALA190C, ALA190D, ALA197C, ALA197D, ALA235C, ALA235D, ALA241C, ALA241D, ALA249C, ALA249D, ALA256C, ALA256D, ALA38C, ALA38D, ALA43C, ALA43D, ALA6C, ALA6D, ARG187C, ARG187D, ARG194C, ARG194D, ARG198C, ARG198D, ARG231C, ARG231D, ARG267C, ARG267D, ARG40C, ARG40D, ASN191C, ASN191D, ASN200C, ASN200D, ASP14C, ASP14D, ASP195C, ASP195D, ASP208C, ASP208D, ASP232C, ASP232D, ASP248C, ASP248D, ASP257C, ASP257D, ASP261C, ASP261D, CYS42C, CYS42D, GLN15C, GLN15D, GLN4C, GLN4D, GLN5C, GLN5D, GLU10C, GLU10D, GLU192C, GLU192D, GLU237C, GLU237D, GLU37C, GLU37D, GLU44C, GLU44D, GLY205C, GLY205D, GLY230C, GLY230D, GLY233C, GLY233D, GLY240C, GLY240D, GLY255C, GLY255D, GLY262C, GLY262D, GLY263C, GLY263D, GLY3C, GLY3D, GLY41C, GLY41D, GLY46C, HIS184C, HIS184D, HIS224C, HIS224D, HIS9C, HIS9D, ILE202C, ILE202D, ILE207C, ILE207D, ILE227C, ILE227D, ILE260C, ILE260D, LEU12C, LEU12D, LEU13C, LEU13D, LEU16C, LEU16D, LEU189C, LEU189D, LEU18C, LEU18D, LEU234C, LEU234D, LEU238C, LEU238D, LEU258C, LEU258D, LEU259C, LEU259D, LYS19C, LYS236C, LYS236D, LYS239C, LYS239D, LYS32C, LYS32D, LYS8C, LYS8D, MET161C, MET161D, MET226C, MET226D, MET229C, MET229D, MET45C, MET45D, PHE196C, PHE196D, PHE245C, PHE245D, PRO204C, PRO204D, PRO228C, PRO228D, SER11C, SER11D, SER17C, SER17D, SER188C, SER188D, SER201C, SER201D, SER203C, SER203D, SER225C, SER225D, SER247C, SER247D, SER250C, SER250D, THR251C, THR251D, THR253C, THR253D, THR254C, THR254D, THR265C, THR265D, THR266C, THR266D, THR7C, THR7D, TRP193C, TRP193D, TYR206C, TYR206D, TYR242C, TYR242D, TYR244C, TYR244D, TYR252C, TYR252D, TYR264C, TYR264D, TYR71C, TYR71D, VAL199C, VAL199D, VAL243C, VAL243D